xraypy/xraylarch: 2026.2.0
Authors/Creators
- Matt Newville1
- Mauro Rovezzi2
- Bruce Ravel
- mkak3
- Ameyanagi4
- Damian Guenzing5
- Wout De Nolf6
- Klemen Bucar
- Christian Dewey
- Thomas VINCENT6
- Max Rakitin7
- Liqun Kang8
- Charles Le Losq9
- Mia
- Alexandre Detiste
- Denis Ryabov
- Mark Wolfman10
- tj-eldridge
- patrick-austin
- fmneto
- Guido Iaquinti
- Helen Engelhardt
- Kiran Mathew11
- Nathaniel M. Beaver12
- Sonal R. Patel13
- VasilyLebedev
- Keith White14
- 1. University of Chicago
- 2. CNRS - OSUG - FAME CRG
- 3. Lawrence University
- 4. Stonybrook University
- 5. Berkeley Lab
- 6. ESRF
- 7. Brookhaven National Laboratory
- 8. Max Planck Institute for Chemical Energy Conversion
- 9. Institut de physique du globe de Paris
- 10. Argonne National Laboratory
- 11. Lawrence Berkeley Lab
- 12. Northeastern University
- 13. Helmholtz-Zentrum Berlin für Materialien und Energie (HZB)
- 14. University of Colorado Boulder
Description
[2026.2.0 - 2026-05-22]
xraylarch library
- move everything related to
larch.xrd.struct2xastolarixite(in view of future separate development) - some refactoring to better force numpy scalars to plain python numeric types
- feffit: update defaut feffit param bounds
- feffit: add more per-path 'magic values' (nleg, degen, vfermi, etc) in addtion to reff in the code setup, tweak start param values
- feffit: more checks for saving/copying feffit fit parameters
- feffit: delay of asteval-expression evaluation for constraints
- feffit: fix feffit 13-path example to have more robust handling for how parameters and constrainte are defined
- hdf5 handling: better decoding of scalar-like byte data.
- fix use of
numpy.trapezoidfor numpy 2. - fix passing style in bokeh plots, and add style option for its multi_plot
Larix
xasnorm: add user-named settings for configurations of XAS Normalization Paramters. That is, the user can save and reload (in later sessions) chosen parameters for differ data categories, with examples for 'S XANES' and 'Theoretical Calculations'.
xasnorm: energy_calib can now auto_align a set of selected groups, better handling of large-ish differences in e0 values
xasnorm: some improvements in auto_nnorm and copying the 'show_*' options
exafs: add user-named settings for configurations of EXAFS Parameters, as for XAS Normalization.
io: fix import bug in specfile_writer.py
io: fix exporting CSV files.
exafs: add save/load of users EXAFS parameters to named config
exafs: default bkgclamp values as ints, not floats
xydata: cleanup for reading and using xydata
feffit: better creation of Parameters for feffit, including earlier loading of builtin Path values (reff, etc) and function (sigma2_*, etc)
using latest wxutils dark-mode detection: good on macOS, "forcing to Light mode for now" on Windows, poor on Linux.
better handling of out-of-bounds Plot cursor values.
XRF Fitting
- fitting GUI tweaks
- fitting: better checking for setting values for Choice boxes
- fitting: use timestamp as fit label for XRF fits
- fitting: Font/Color simplification
Other GUIs
- gsemap viewer: use auto_reverse, cleanups
- gsemap_viewer: fix for importing and using XRF fit result.
- xrf epics control: command-line arguments improved, with
- xrf epics control: many cleanups, improved support for single MCAs, and enable set calibration for single MCA/Ketek.
Exampes/Docs:
- update Feff_ZnSe ipython examples
- update CIF/Feff Jupyter example #1
- add Jupyter example of using amcsd database to extract CIFs and run Feff
Distribution/Install/General:
- update dependencies (larixite, silx, wxutils)
- use machine architecture in GetLarch.sh, now defaulting to arm64 for most macOS machines
- update github actions to properly activate conda environment
Files
xraypy/xraylarch-2026.2.0.zip
Files
(75.0 MB)
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md5:525e3ffa2a2bce71962ecfb73c597a5a
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Additional details
Related works
- Is supplement to
- Software: https://github.com/xraypy/xraylarch/tree/2026.2.0 (URL)
Software
- Repository URL
- https://github.com/xraypy/xraylarch